(4-nitrophenyl)methyl (5S)-3-methoxy-7-oxidanylidene-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (5S)-3-methoxy-7-oxidanylidene-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5S)-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylate CAS Name: (5S)-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5S)-3-methoxy-7-oxo-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylate Traditional Name: (5S)-7-keto-3-methoxy-1-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2CC(=O)N(C2)C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C[C@@H]2CC(=O)N(C2)C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6/c1-23-13-6-11-7-14(19)17(8-11)15(13)16(20)24-9-10-2-4-12(5-3-10)18(21)22/h2-6,11,15H,7-9H2,1H3/t11-,15?/m1/s1